N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide

C10H15NO2 — CID 40584922

IUPACN-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccoc1C
InChIInChI=1S/C10H15NO2/c1-4-7(2)11-10(12)9-5-6-13-8(9)3/h5-7H,4H2,1-3H3,(H,11,12)/t7-/m0/s1
InChIKeyAVVFGZWOUUYPNU-ZETCQYMHSA-N
MW181.24 g/mol
LogP2.12
Rot. Bonds3

About N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide

N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide (PubChem CID 40584922) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
PubChem CID40584922
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC NameN-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccoc1C
InChIInChI=1S/C10H15NO2/c1-4-7(2)11-10(12)9-5-6-13-8(9)3/h5-7H,4H2,1-3H3,(H,11,12)/t7-/m0/s1
InChIKeyAVVFGZWOUUYPNU-ZETCQYMHSA-N
XLogP2.12
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide
CID 94183070
2-methyl-N'-(2-methylbutanoyl)furan-3-carbohydrazide
CID 43042434
2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 16774723
N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide
CID 2970515
N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride
CID 119586435
N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
CID 7301981
2-methyl-N-(2-methylpropoxy)furan-3-carboxamide
CID 115409998
2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide
CID 31287028
5-methyl-3-[[(2-methylfuran-3-carbonyl)amino]methyl]hexanoic acid
CID 65494748
N-iodo-2-methylfuran-3-carboxamide
CID 170236265
3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 81077472
2-[[2-(butan-2-ylcarbamoyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119179086

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide (CID 40584922) is N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide is CC[C@H](C)NC(=O)c1ccoc1C.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide?
The InChIKey is AVVFGZWOUUYPNU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-7(2)11-10(12)9-5-6-13-8(9)3/h5-7H,4H2,1-3H3,(H,11,12)/t7-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide?
N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 40584922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).